ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-3-chloranyl-benzoate

Systemtic Name: ethyl 4-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-3-chloranyl-benzoate Openeye Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-3-chloro-benzoate CAS Name: 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-3-chlorobenzoate Traditional Name: 4-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C19H19ClN2O7S MolecularWeight: 454.88136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H19ClN2O7S/c1-3-27-19(24)12-4-6-15(14(20)8-12)21-18(23)10-22(30(2,25)26)13-5-7-16-17(9-13)29-11-28-16/h4-9H,3,10-11H2,1-2H3,(H,21,23)